(2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile

C21H15ClN2 — CID 11255998

IUPAC(2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile
SMILESN#C[C@H](NC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2/c22-15-11-9-14(10-12-15)20(13-23)24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,20-21,24H/t20-/m0/s1
InChIKeyRYIGIDLBEKYSPZ-FQEVSTJZSA-N
MW330.82 g/mol
LogP5.26
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile

(2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile (PubChem CID 11255998) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile
PubChem CID11255998
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile
SMILESN#C[C@H](NC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2/c22-15-11-9-14(10-12-15)20(13-23)24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,20-21,24H/t20-/m0/s1
InChIKeyRYIGIDLBEKYSPZ-FQEVSTJZSA-N
XLogP5.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile (CID 11255998) is (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile is N#C[C@H](NC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile?
The InChIKey is RYIGIDLBEKYSPZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-15-11-9-14(10-12-15)20(13-23)24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-12,20-21,24H/t20-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile?
(2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile has a molecular weight of 330.82 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(9H-fluoren-9-ylamino)acetonitrile is sourced from PubChem (CID 11255998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).